SCHEMBL8004031

SCHEMBL8004031

O=C/C=C/c1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
NOTUM Q6P988 1/20 0.44
F11 P03951 17/20 0.43
KLKB1 P03952 7/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL478641 0.85 NOTUM (0.49) F2NOTUMF11KLKB1
SCHEMBL29927629 0.85 NOTUM (0.49) F2NOTUMF11KLKB1
SCHEMBL10290211 0.83 NOTUM (0.46) F2NOTUMF11KLKB1
SCHEMBL478536 0.81 F11 (0.53) F11KLKB1
SCHEMBL478538 0.81 F11 (0.53) F11KLKB1
SCHEMBL30194022 0.81 F11 (0.53) F11KLKB1
SCHEMBL16974784 0.81 NOTUM (0.47) NOTUMF11KLKB1
SCHEMBL20109426 0.80 F11 (0.52) F11KLKB1
SCHEMBL14874260 0.80 F11 (0.51) F11KLKB1
SCHEMBL30480722 0.80 F11 (0.52) F11KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 F2 8/4885NOTUM 2445/4885F11 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.